Related papers: Efficient temperature-dependent Green's function m…
We consider the cumulant expansion of the PAM employing the hybridization as perturbation (Phys. Rev. B 50, 17933 (1994)), and we obtain formally exact one-electron Green's functions (GF). These GF contain effective cumulants that are as…
An acceleration of continuous time quantum Monte Carlo (CTQMC) methods is a potentially interesting branch of work as they are matchless as impurity solvers of a density functional theory in combination with a dynamical mean field theory…
In a recent paper we have suggested that the finite temperature density matrix can be computed efficiently by a combination of polynomial expansion and iterative inversion techniques. We present here significant improvements over this…
A consistent microscopic theory of superconductivity for strongly correlated electronic systems is presented. The Dyson equation for the normal and anomalous Green functions for the projected (Hubbard) electronic operators is derived. To…
We write the Green function of the $d$-dimensional hypercubic lattice in a piecewise form covering the entire real frequency axis. Each piece is a single integral involving modified Bessel functions of the first and second kinds. The…
In this paper, we consider band-structure calculations governed by the Helmholtz or Maxwell equations in piecewise homogeneous periodic materials. Methods based on boundary integral equations are natural in this context, since they…
The method of two-point quasiclassical Green's function is reviewed and its applicability for description of multiple reflections/transmissions in layered structures is discussed. The Green's function of a sandwich built of superconducting…
In the framework of the hybrid quantum-classical variational cluster approach (VCA) to strongly correlated electron systems one of the goals of a quantum subroutine is to find single-particle correlation functions of lattice fermions in…
Despite temperature rise being a first-order design constraint, traditional thermal estimation techniques have severe limitations in modeling critical aspects affecting the temperature in modern-day chips. Existing thermal modeling…
Many-body functionals of the Green's function can provide fundamental advances in electronic-structure calculations, due to their ability to accurately predict both spectral and thermodynamic properties, such as angle-resolved photoemission…
The self-consistent theory of the correlation effects in Highly Correlated Systems(HCS) is presented. The novel Irreducible Green's Functions(IGF) method is discused in detail for the Hubbard model and random Hubbard model. The…
An efficient hybrid numerical method for multiple scattering calculations is proposed. We use the well established doubling--adding method to find the reflection function of the lowermost homogeneous slab comprising the atmosphere of our…
We revise critically existing approaches to evaluation of thermodynamic potentials within the Green's function calculations at finite electronic temperatures. We focus on the entropy and show that usual technical problems related to the…
We exploit the many-body self-consistent Green's function method to analyze finite-temperature properties of infinite nuclear matter and to explore the behavior of the thermal index used to simulate thermal effects in equations of state for…
A new fast multipole formulation for solving elliptic difference equations on unbounded domains and its parallel implementation are presented. These difference equations can arise directly in the description of physical systems, e.g.…
Thermal sensing with fine spatial resolution is important to the study of many scientific areas. While modern microscopy systems allow easy optical detection at high spatial resolution, their intrinsic functions are mainly focused on…
In a recent series of scanning probe experiments, it became possible to visualize local electron flow in a two-dimensional electron gas. In this paper, a Green's function technique is presented that enables efficient calculation of the…
Recent work has deployed linear combinations of unitaries techniques to reduce the cost of fault-tolerant quantum simulations of correlated electron models. Here, we show that one can sometimes improve upon those results with optimized…
A nonperturbative method to obtain on- and off-site one-particle Green's function is introduced and applied to noninteracting Hubbard model with next nearest neighbor hopping and interacting Hubbard model in large dimensions, for example.…
Measuring the vibronic spectrum probes dynamical processes in molecular systems. When interpreted via suitable theoretical tools, the experimental data provides comprehensive information about the system in question. For complex many-body…